5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide

C15H22ClN3O2 — CID 114922793

IUPAC5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CCOC)C2CC2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-3-6-17-14-9-12(13(16)10-18-14)15(20)19(7-8-21-2)11-4-5-11/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyBKOPOTXTDMACQI-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds8

About 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114922793) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID114922793
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CCOC)C2CC2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-3-6-17-14-9-12(13(16)10-18-14)15(20)19(7-8-21-2)11-4-5-11/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyBKOPOTXTDMACQI-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62175465
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 114923597
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
CID 114919583
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922327
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 114923196
5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 114923905
[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 114923464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide (CID 114922793) is 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(CCOC)C2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is BKOPOTXTDMACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-3-6-17-14-9-12(13(16)10-18-14)15(20)19(7-8-21-2)11-4-5-11/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).